2-[1-(2-chloropyrimidin-4-yl)-3-methylpentyl]-[1,3]thiazolo[5,4-b]pyridine

C16H17ClN4S — CID 123862175

IUPAC2-[1-(2-chloropyrimidin-4-yl)-3-methylpentyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESCCC(C)CC(c1ccnc(Cl)n1)c1nc2cccnc2s1
InChIInChI=1S/C16H17ClN4S/c1-3-10(2)9-11(12-6-8-19-16(17)21-12)14-20-13-5-4-7-18-15(13)22-14/h4-8,10-11H,3,9H2,1-2H3
InChIKeyHNMFBUPSEFIGKG-UHFFFAOYSA-N
MW332.86 g/mol
LogP4.70
Rot. Bonds5

About 2-[1-(2-chloropyrimidin-4-yl)-3-methylpentyl]-[1,3]thiazolo[5,4-b]pyridine

2-[1-(2-chloropyrimidin-4-yl)-3-methylpentyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 123862175) has the molecular formula C16H17ClN4S and a molecular weight of 332.86 g/mol. Its IUPAC name is 2-[1-(2-chloropyrimidin-4-yl)-3-methylpentyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[1-(2-chloropyrimidin-4-yl)-3-methylpentyl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID123862175
Molecular FormulaC16H17ClN4S
Molecular Weight332.86 g/mol
Exact Mass332.09
IUPAC Name2-[1-(2-chloropyrimidin-4-yl)-3-methylpentyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESCCC(C)CC(c1ccnc(Cl)n1)c1nc2cccnc2s1
InChIInChI=1S/C16H17ClN4S/c1-3-10(2)9-11(12-6-8-19-16(17)21-12)14-20-13-5-4-7-18-15(13)22-14/h4-8,10-11H,3,9H2,1-2H3
InChIKeyHNMFBUPSEFIGKG-UHFFFAOYSA-N
XLogP4.70
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2-chloropyrimidin-4-yl)-3-methylpentyl]-[1,3]thiazolo[5,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-([1,3]thiazolo[5,4-b]pyridin-2-yl)propan-1-amine
CID 65335679
methane;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 160984221
CID 177336385
CID 177336385
(1S)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethanamine
CID 82409431
4-butan-2-yl-2-chloropyrimidine
CID 44613886
(1R)-1-(2-chloropyrimidin-4-yl)ethanol
CID 124566529
2-(1-piperazin-1-ylethyl)-[1,3]thiazolo[5,4-b]pyridine
CID 65335839
2-(2-chloropyrimidin-4-yl)-2-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)acetonitrile
CID 90317115
3-amino-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)propan-1-ol
CID 65335836
1-(1,3-benzothiazol-2-yl)-N-ethyl-3-methylpentan-1-amine
CID 43314724
2-([1,3]thiazolo[5,4-b]pyridin-2-yl)pentan-2-amine
CID 65335738
trimethyl([1,3]thiazolo[5,4-b]pyridin-2-yl)stannane
CID 143914856

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloropyrimidin-4-yl)-3-methylpentyl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-[1-(2-chloropyrimidin-4-yl)-3-methylpentyl]-[1,3]thiazolo[5,4-b]pyridine (CID 123862175) is 2-[1-(2-chloropyrimidin-4-yl)-3-methylpentyl]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[1-(2-chloropyrimidin-4-yl)-3-methylpentyl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-[1-(2-chloropyrimidin-4-yl)-3-methylpentyl]-[1,3]thiazolo[5,4-b]pyridine is CCC(C)CC(c1ccnc(Cl)n1)c1nc2cccnc2s1.
What is the InChIKey of 2-[1-(2-chloropyrimidin-4-yl)-3-methylpentyl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is HNMFBUPSEFIGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4S/c1-3-10(2)9-11(12-6-8-19-16(17)21-12)14-20-13-5-4-7-18-15(13)22-14/h4-8,10-11H,3,9H2,1-2H3.
What are the key properties of 2-[1-(2-chloropyrimidin-4-yl)-3-methylpentyl]-[1,3]thiazolo[5,4-b]pyridine?
2-[1-(2-chloropyrimidin-4-yl)-3-methylpentyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 332.86 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloropyrimidin-4-yl)-3-methylpentyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 123862175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).